N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C14H22N2OS2 — CID 79895289

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCc1nc(CNC2CCOC3(CCSCC3)C2)cs1
InChIInChI=1S/C14H22N2OS2/c1-11-16-13(10-19-11)9-15-12-2-5-17-14(8-12)3-6-18-7-4-14/h10,12,15H,2-9H2,1H3
InChIKeyFREQWSSQPIOAGV-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79895289) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79895289
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCc1nc(CNC2CCOC3(CCSCC3)C2)cs1
InChIInChI=1S/C14H22N2OS2/c1-11-16-13(10-19-11)9-15-12-2-5-17-14(8-12)3-6-18-7-4-14/h10,12,15H,2-9H2,1H3
InChIKeyFREQWSSQPIOAGV-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96390603
4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 123674582
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 61019319
N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281448
4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 61281474
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61284991
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 61526754
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
CID 62350680
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
CID 62351926

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79895289) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is Cc1nc(CNC2CCOC3(CCSCC3)C2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is FREQWSSQPIOAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-11-16-13(10-19-11)9-15-12-2-5-17-14(8-12)3-6-18-7-4-14/h10,12,15H,2-9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 298.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).